N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride

C16H20ClN3O3 — CID 120945682

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2ccccc2)oc1C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-10-14(15(21)18-8-12-7-17-9-13(12)20)22-16(19-10)11-5-3-2-4-6-11;/h2-6,12-13,17,20H,7-9H2,1H3,(H,18,21);1H
InChIKeyUTVDDHRCERZZLN-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.38
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride (PubChem CID 120945682) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
PubChem CID120945682
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2ccccc2)oc1C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-10-14(15(21)18-8-12-7-17-9-13(12)20)22-16(19-10)11-5-3-2-4-6-11;/h2-6,12-13,17,20H,7-9H2,1H3,(H,18,21);1H
InChIKeyUTVDDHRCERZZLN-UHFFFAOYSA-N
XLogP1.38
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119514825
4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119504426
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide
CID 120944262
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120944201
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120944811
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120947898
4-methyl-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
CID 120812827
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 120947540
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
CID 120946394
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride
CID 120948004

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride (CID 120945682) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride is Cc1nc(-c2ccccc2)oc1C(=O)NCC1CNCC1O.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride?
The InChIKey is UTVDDHRCERZZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-10-14(15(21)18-8-12-7-17-9-13(12)20)22-16(19-10)11-5-3-2-4-6-11;/h2-6,12-13,17,20H,7-9H2,1H3,(H,18,21);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120945682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).