2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline

C24H29N3O2 — CID 11003687

IUPAC2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
SMILESCC(C)[C@H]1COC(c2ccccc2Nc2ccccc2C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C24H29N3O2/c1-15(2)21-13-28-23(26-21)17-9-5-7-11-19(17)25-20-12-8-6-10-18(20)24-27-22(14-29-24)16(3)4/h5-12,15-16,21-22,25H,13-14H2,1-4H3/t21-,22-/m1/s1
InChIKeyNITCFCOIRHHNRN-FGZHOGPDSA-N
MW391.52 g/mol
LogP5.03
Rot. Bonds6

About 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline

2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline (PubChem CID 11003687) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline.

Molecular Properties

Compound Name2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
PubChem CID11003687
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
SMILESCC(C)[C@H]1COC(c2ccccc2Nc2ccccc2C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C24H29N3O2/c1-15(2)21-13-28-23(26-21)17-9-5-7-11-19(17)25-20-12-8-6-10-18(20)24-27-22(14-29-24)16(3)4/h5-12,15-16,21-22,25H,13-14H2,1-4H3/t21-,22-/m1/s1
InChIKeyNITCFCOIRHHNRN-FGZHOGPDSA-N
XLogP5.03
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
The IUPAC name of 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline (CID 11003687) is 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline.
What is the SMILES notation for 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
The canonical SMILES for 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline is CC(C)[C@H]1COC(c2ccccc2Nc2ccccc2C2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
The InChIKey is NITCFCOIRHHNRN-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-15(2)21-13-28-23(26-21)17-9-5-7-11-19(17)25-20-12-8-6-10-18(20)24-27-22(14-29-24)16(3)4/h5-12,15-16,21-22,25H,13-14H2,1-4H3/t21-,22-/m1/s1.
What are the key properties of 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline has a molecular weight of 391.52 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline is sourced from PubChem (CID 11003687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).