3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide

C21H25N5O2 — CID 92614545

IUPAC3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide
SMILESCn1cc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)on2)cn1
InChIInChI=1S/C21H25N5O2/c1-25-15-17(13-23-25)18-12-20(28-24-18)21(27)22-14-19(16-8-4-2-5-9-16)26-10-6-3-7-11-26/h2,4-5,8-9,12-13,15,19H,3,6-7,10-11,14H2,1H3,(H,22,27)/t19-/m0/s1
InChIKeyNFNPPFGCHQREEF-IBGZPJMESA-N
MW379.46 g/mol
LogP3.03
Rot. Bonds6

About 3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide

3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide (PubChem CID 92614545) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide
PubChem CID92614545
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide
SMILESCn1cc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)on2)cn1
InChIInChI=1S/C21H25N5O2/c1-25-15-17(13-23-25)18-12-20(28-24-18)21(27)22-14-19(16-8-4-2-5-9-16)26-10-6-3-7-11-26/h2,4-5,8-9,12-13,15,19H,3,6-7,10-11,14H2,1H3,(H,22,27)/t19-/m0/s1
InChIKeyNFNPPFGCHQREEF-IBGZPJMESA-N
XLogP3.03
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 97125005
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 74231388
N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 118762980
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17016119
N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42272210
5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39866513
3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 167898904
2-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111326893
5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42907270
5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 30334540
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732701
5-[4-(2-methylpropoxy)phenyl]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 35582755

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide (CID 92614545) is 3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide is Cn1cc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)on2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NFNPPFGCHQREEF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N5O2/c1-25-15-17(13-23-25)18-12-20(28-24-18)21(27)22-14-19(16-8-4-2-5-9-16)26-10-6-3-7-11-26/h2,4-5,8-9,12-13,15,19H,3,6-7,10-11,14H2,1H3,(H,22,27)/t19-/m0/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide?
3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92614545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).