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

C15H17N3O2 — CID 119704502

IUPACN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ncc(-c2ccc(NC(=O)C3CCNC3)cc2)o1
InChIInChI=1S/C15H17N3O2/c1-10-17-9-14(20-10)11-2-4-13(5-3-11)18-15(19)12-6-7-16-8-12/h2-5,9,12,16H,6-8H2,1H3,(H,18,19)
InChIKeyBSNFOPDZLUEUHA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.20
Rot. Bonds3

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

N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 119704502) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID119704502
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ncc(-c2ccc(NC(=O)C3CCNC3)cc2)o1
InChIInChI=1S/C15H17N3O2/c1-10-17-9-14(20-10)11-2-4-13(5-3-11)18-15(19)12-6-7-16-8-12/h2-5,9,12,16H,6-8H2,1H3,(H,18,19)
InChIKeyBSNFOPDZLUEUHA-UHFFFAOYSA-N
XLogP2.20
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119730167
9-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985154
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119704465
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119279210
(3R)-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidine-3-carboxamide
CID 81118348
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119279214
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119822821
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 166405051

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide (CID 119704502) is N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide is Cc1ncc(-c2ccc(NC(=O)C3CCNC3)cc2)o1.
What is the InChIKey of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is BSNFOPDZLUEUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-17-9-14(20-10)11-2-4-13(5-3-11)18-15(19)12-6-7-16-8-12/h2-5,9,12,16H,6-8H2,1H3,(H,18,19).
What are the key properties of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119704502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).