N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide

C24H33N5O3 — CID 110224627

IUPACN-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide
SMILESCOC1CCCC(C(=O)NC2CCN(c3ncc(-c4cc(C)no4)c(C4CC4)n3)CC2)C1
InChIInChI=1S/C24H33N5O3/c1-15-12-21(32-28-15)20-14-25-24(27-22(20)16-6-7-16)29-10-8-18(9-11-29)26-23(30)17-4-3-5-19(13-17)31-2/h12,14,16-19H,3-11,13H2,1-2H3,(H,26,30)
InChIKeyHKZVMCFSWJIHFT-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.61
Rot. Bonds6

About N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide

N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide (PubChem CID 110224627) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide
PubChem CID110224627
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide
SMILESCOC1CCCC(C(=O)NC2CCN(c3ncc(-c4cc(C)no4)c(C4CC4)n3)CC2)C1
InChIInChI=1S/C24H33N5O3/c1-15-12-21(32-28-15)20-14-25-24(27-22(20)16-6-7-16)29-10-8-18(9-11-29)26-23(30)17-4-3-5-19(13-17)31-2/h12,14,16-19H,3-11,13H2,1-2H3,(H,26,30)
InChIKeyHKZVMCFSWJIHFT-UHFFFAOYSA-N
XLogP3.61
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 92554368
(2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide
CID 92554375
5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 95803023
(3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 124912954
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92554578
N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide
CID 110238814
cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219773
cyclopropyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219984
2,2-dimethyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 51584557
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952682
tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate
CID 110219988
5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 92554598

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide (CID 110224627) is N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide is COC1CCCC(C(=O)NC2CCN(c3ncc(-c4cc(C)no4)c(C4CC4)n3)CC2)C1.
What is the InChIKey of N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide?
The InChIKey is HKZVMCFSWJIHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-15-12-21(32-28-15)20-14-25-24(27-22(20)16-6-7-16)29-10-8-18(9-11-29)26-23(30)17-4-3-5-19(13-17)31-2/h12,14,16-19H,3-11,13H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide?
N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 110224627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).