4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride

C16H20ClN3O2 — CID 119514825

IUPAC4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2ccccc2)oc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-11-14(15(20)18-10-13-8-5-9-17-13)21-16(19-11)12-6-3-2-4-7-12;/h2-4,6-7,13,17H,5,8-10H2,1H3,(H,18,20);1H
InChIKeyXRTDVJIOWDBGQJ-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.55
Rot. Bonds4

About 4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride

4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride (PubChem CID 119514825) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride
PubChem CID119514825
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2ccccc2)oc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-11-14(15(20)18-10-13-8-5-9-17-13)21-16(19-11)12-6-3-2-4-7-12;/h2-4,6-7,13,17H,5,8-10H2,1H3,(H,18,20);1H
InChIKeyXRTDVJIOWDBGQJ-UHFFFAOYSA-N
XLogP2.55
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120945682
4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119504426
5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119512632
4-methyl-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
CID 120812827
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512405
1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 126775451
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119511849
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 119514675
4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride
CID 119513544

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride (CID 119514825) is 4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride is Cc1nc(-c2ccccc2)oc1C(=O)NCC1CCCN1.Cl.
What is the InChIKey of 4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride?
The InChIKey is XRTDVJIOWDBGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.ClH/c1-11-14(15(20)18-10-13-8-5-9-17-13)21-16(19-11)12-6-3-2-4-7-12;/h2-4,6-7,13,17H,5,8-10H2,1H3,(H,18,20);1H.
What are the key properties of 4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride?
4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119514825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).