N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride

C15H18ClN3O2 — CID 126786580

IUPACN-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCNC1)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C15H17N3O2.ClH/c19-15(6-11-4-5-16-8-11)18-13-3-1-2-12(7-13)14-9-17-10-20-14;/h1-3,7,9-11,16H,4-6,8H2,(H,18,19);1H
InChIKeyNEEYLBSPFXRUFD-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.70
Rot. Bonds4

About N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride

N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 126786580) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID126786580
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCNC1)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C15H17N3O2.ClH/c19-15(6-11-4-5-16-8-11)18-13-3-1-2-12(7-13)14-9-17-10-20-14;/h1-3,7,9-11,16H,4-6,8H2,(H,18,19);1H
InChIKeyNEEYLBSPFXRUFD-UHFFFAOYSA-N
XLogP2.70
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
N-[3-(1,3-oxazol-5-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119399827
5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 60934205
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
N-pyrimidin-5-yl-2-pyrrolidin-3-ylacetamide
CID 107588558
cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94796874
4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119399847
3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 62965913
2-amino-N-[3-(1,3-oxazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 64823770
(E)-3-[3-[(2-pyrrolidin-3-ylacetyl)amino]phenyl]prop-2-enoic acid
CID 115339792
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 119399848

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride (CID 126786580) is N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CCNC1)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is NEEYLBSPFXRUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.ClH/c19-15(6-11-4-5-16-8-11)18-13-3-1-2-12(7-13)14-9-17-10-20-14;/h1-3,7,9-11,16H,4-6,8H2,(H,18,19);1H.
What are the key properties of N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride?
N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 307.78 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 126786580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).