2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide

C19H27N5O3 — CID 131939254

IUPAC2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESCc1nccn1CC(=O)NCC1CCN(C(=O)c2ncoc2C(C)C)CC1
InChIInChI=1S/C19H27N5O3/c1-13(2)18-17(22-12-27-18)19(26)23-7-4-15(5-8-23)10-21-16(25)11-24-9-6-20-14(24)3/h6,9,12-13,15H,4-5,7-8,10-11H2,1-3H3,(H,21,25)
InChIKeyTZCHPRRHWQETSN-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.97
Rot. Bonds6

About 2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide

2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 131939254) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide
PubChem CID131939254
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESCc1nccn1CC(=O)NCC1CCN(C(=O)c2ncoc2C(C)C)CC1
InChIInChI=1S/C19H27N5O3/c1-13(2)18-17(22-12-27-18)19(26)23-7-4-15(5-8-23)10-21-16(25)11-24-9-6-20-14(24)3/h6,9,12-13,15H,4-5,7-8,10-11H2,1-3H3,(H,21,25)
InChIKeyTZCHPRRHWQETSN-UHFFFAOYSA-N
XLogP1.97
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-{1-[(5-Ethyl-1,3-oxazol-4-yl)carbonyl]-3-pyrrolidinyl}-1-piperidinyl)pyrimidine
CID 45228137
(4aS*,8aR*)-1-[2-(1H-imidazol-4-yl)ethyl]-6-[(5-methyl-1,3-oxazol-4-yl)carbonyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56884980
9-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-2-[2-(1H-imidazol-4-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72839531
2-[2-(1H-imidazol-4-yl)ethyl]-9-[(5-methyl-1,3-oxazol-4-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72915596
5-propan-2-yl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 95763489
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97284373
5-ethyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 128201532
5-propan-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazole-4-carboxamide
CID 72006794
(5-Cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone
CID 128513428
N,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-oxazole-4-carboxamide
CID 128965016
(5-Methyl-1,3-oxazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980198
(5-methyl-1,3-oxazol-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996066

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide (CID 131939254) is 2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide is Cc1nccn1CC(=O)NCC1CCN(C(=O)c2ncoc2C(C)C)CC1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is TZCHPRRHWQETSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-13(2)18-17(22-12-27-18)19(26)23-7-4-15(5-8-23)10-21-16(25)11-24-9-6-20-14(24)3/h6,9,12-13,15H,4-5,7-8,10-11H2,1-3H3,(H,21,25).
What are the key properties of 2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide?
2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-[[1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 131939254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).