N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide

C17H19N3O2 — CID 119730167

IUPACN-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)C1CCNC1
InChIInChI=1S/C17H19N3O2/c21-16(13-7-8-18-9-13)20-14-5-3-11(4-6-14)15-10-19-17(22-15)12-1-2-12/h3-6,10,12-13,18H,1-2,7-9H2,(H,20,21)
InChIKeyVLDGYXZFTQRHMY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.77
Rot. Bonds4

About N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide

N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 119730167) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID119730167
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)C1CCNC1
InChIInChI=1S/C17H19N3O2/c21-16(13-7-8-18-9-13)20-14-5-3-11(4-6-14)15-10-19-17(22-15)12-1-2-12/h3-6,10,12-13,18H,1-2,7-9H2,(H,20,21)
InChIKeyVLDGYXZFTQRHMY-UHFFFAOYSA-N
XLogP2.77
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119704502
3-amino-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730136
N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide
CID 119730157
2-amino-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-2-methylpropanamide
CID 119292951
4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 66610211
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide
CID 33196301
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119783693
4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 66610105
4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 66609987

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide (CID 119730167) is N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)C1CCNC1.
What is the InChIKey of N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is VLDGYXZFTQRHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16(13-7-8-18-9-13)20-14-5-3-11(4-6-14)15-10-19-17(22-15)12-1-2-12/h3-6,10,12-13,18H,1-2,7-9H2,(H,20,21).
What are the key properties of N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119730167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).