3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide

C23H29N5O2 — CID 92628426

IUPAC3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)on2)c1C
InChIInChI=1S/C23H29N5O2/c1-4-28-17(3)20(14-24-28)21-13-22(30-26-21)23(29)25-19-10-7-9-18(12-19)15-27-11-6-5-8-16(27)2/h7,9-10,12-14,16H,4-6,8,11,15H2,1-3H3,(H,25,29)/t16-/m1/s1
InChIKeyVNJVRQFGKXJYQD-MRXNPFEDSA-N
MW407.52 g/mol
LogP4.49
Rot. Bonds6

About 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide

3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 92628426) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID92628426
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)on2)c1C
InChIInChI=1S/C23H29N5O2/c1-4-28-17(3)20(14-24-28)21-13-22(30-26-21)23(29)25-19-10-7-9-18(12-19)15-27-11-6-5-8-16(27)2/h7,9-10,12-14,16H,4-6,8,11,15H2,1-3H3,(H,25,29)/t16-/m1/s1
InChIKeyVNJVRQFGKXJYQD-MRXNPFEDSA-N
XLogP4.49
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 60560386
1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 97452094
2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92627356
[3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975563
N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 46978836
1-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
CID 118779593
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 97444839
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 46951966
2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide
CID 124582290
N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46475702
N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 72895536

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide (CID 92628426) is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide is CCn1ncc(-c2cc(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)on2)c1C.
What is the InChIKey of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is VNJVRQFGKXJYQD-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-4-28-17(3)20(14-24-28)21-13-22(30-26-21)23(29)25-19-10-7-9-18(12-19)15-27-11-6-5-8-16(27)2/h7,9-10,12-14,16H,4-6,8,11,15H2,1-3H3,(H,25,29)/t16-/m1/s1.
What are the key properties of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide?
3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92628426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).