N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide

C19H22F3N3O2 — CID 56742144

IUPACN-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
SMILESCC(C)NC(=O)C(C)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1
InChIInChI=1S/C19H22F3N3O2/c1-11(2)23-18(26)12(3)25-9-8-16-15(10-25)17(24-27-16)13-4-6-14(7-5-13)19(20,21)22/h4-7,11-12H,8-10H2,1-3H3,(H,23,26)
InChIKeyJVYZKFNEFGRWRD-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.63
Rot. Bonds4

About N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide

N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide (PubChem CID 56742144) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
PubChem CID56742144
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC NameN-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
SMILESCC(C)NC(=O)C(C)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1
InChIInChI=1S/C19H22F3N3O2/c1-11(2)23-18(26)12(3)25-9-8-16-15(10-25)17(24-27-16)13-4-6-14(7-5-13)19(20,21)22/h4-7,11-12H,8-10H2,1-3H3,(H,23,26)
InChIKeyJVYZKFNEFGRWRD-UHFFFAOYSA-N
XLogP3.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide?
The IUPAC name of N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide (CID 56742144) is N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide.
What is the SMILES notation for N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide?
The canonical SMILES for N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide is CC(C)NC(=O)C(C)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1.
What is the InChIKey of N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide?
The InChIKey is JVYZKFNEFGRWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-11(2)23-18(26)12(3)25-9-8-16-15(10-25)17(24-27-16)13-4-6-14(7-5-13)19(20,21)22/h4-7,11-12H,8-10H2,1-3H3,(H,23,26).
What are the key properties of N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide?
N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide has a molecular weight of 381.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide is sourced from PubChem (CID 56742144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).