3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine

C48H38F6N10O5 — CID 163673923

IUPAC3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine
SMILESNc1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12.O=C(CCc1cnoc1)Nc1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12.O=C(O)CCc1cnoc1
InChIInChI=1S/C24H18F3N5O2.C18H13F3N4.C6H7NO3/c25-24(26,27)18-3-5-19(6-4-18)32-13-17(11-29-32)16-2-7-21-20(9-16)22(12-28-21)31-23(33)8-1-15-10-30-34-14-15;19-18(20,21)13-2-4-14(5-3-13)25-10-12(8-24-25)11-1-6-17-15(7-11)16(22)9-23-17;8-6(9)2-1-5-3-7-10-4-5/h2-7,9-14,28H,1,8H2,(H,31,33);1-10,23H,22H2;3-4H,1-2H2,(H,8,9)
InChIKeyJEZIXNYLGXTLAW-UHFFFAOYSA-N
MW948.88 g/mol
LogP10.91
Rot. Bonds11

About 3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine

3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine (PubChem CID 163673923) has the molecular formula C48H38F6N10O5 and a molecular weight of 948.88 g/mol. Its IUPAC name is 3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine.

Molecular Properties

Compound Name3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine
PubChem CID163673923
Molecular FormulaC48H38F6N10O5
Molecular Weight948.88 g/mol
Exact Mass948.29
IUPAC Name3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine
SMILESNc1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12.O=C(CCc1cnoc1)Nc1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12.O=C(O)CCc1cnoc1
InChIInChI=1S/C24H18F3N5O2.C18H13F3N4.C6H7NO3/c25-24(26,27)18-3-5-19(6-4-18)32-13-17(11-29-32)16-2-7-21-20(9-16)22(12-28-21)31-23(33)8-1-15-10-30-34-14-15;19-18(20,21)13-2-4-14(5-3-13)25-10-12(8-24-25)11-1-6-17-15(7-11)16(22)9-23-17;8-6(9)2-1-5-3-7-10-4-5/h2-7,9-14,28H,1,8H2,(H,31,33);1-10,23H,22H2;3-4H,1-2H2,(H,8,9)
InChIKeyJEZIXNYLGXTLAW-UHFFFAOYSA-N
XLogP10.91
TPSA211.70 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500948.88
LogP ≤ 510.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine?
The IUPAC name of 3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine (CID 163673923) is 3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine.
What is the SMILES notation for 3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine?
The canonical SMILES for 3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine is Nc1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12.O=C(CCc1cnoc1)Nc1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12.O=C(O)CCc1cnoc1.
What is the InChIKey of 3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine?
The InChIKey is JEZIXNYLGXTLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2.C18H13F3N4.C6H7NO3/c25-24(26,27)18-3-5-19(6-4-18)32-13-17(11-29-32)16-2-7-21-20(9-16)22(12-28-21)31-23(33)8-1-15-10-30-34-14-15;19-18(20,21)13-2-4-14(5-3-13)25-10-12(8-24-25)11-1-6-17-15(7-11)16(22)9-23-17;8-6(9)2-1-5-3-7-10-4-5/h2-7,9-14,28H,1,8H2,(H,31,33);1-10,23H,22H2;3-4H,1-2H2,(H,8,9).
What are the key properties of 3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine?
3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine has a molecular weight of 948.88 g/mol, XLogP of 10.91, 11 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-4-yl)propanoic acid;3-(1,2-oxazol-4-yl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide;5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-amine is sourced from PubChem (CID 163673923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).