[1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

C24H26N4O3 — CID 16670533

IUPAC[1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCCC(c4ncncc4-c4cc(C)no4)C3)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-16-12-21(31-27-16)20-13-25-15-26-22(20)17-4-3-11-28(14-17)23(29)24(9-10-24)18-5-7-19(30-2)8-6-18/h5-8,12-13,15,17H,3-4,9-11,14H2,1-2H3
InChIKeyCDNJMDVLIQJOPF-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.89
Rot. Bonds5

About [1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

[1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 16670533) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID16670533
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCCC(c4ncncc4-c4cc(C)no4)C3)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-16-12-21(31-27-16)20-13-25-15-26-22(20)17-4-3-11-28(14-17)23(29)24(9-10-24)18-5-7-19(30-2)8-6-18/h5-8,12-13,15,17H,3-4,9-11,14H2,1-2H3
InChIKeyCDNJMDVLIQJOPF-UHFFFAOYSA-N
XLogP3.89
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Methoxyphenyl)-N-(2-morpholinopyrimidin-4-yl)isoxazol-5-amine
CID 146018837
2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
CID 11495368
2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,2-oxazol-3-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
CID 156290485
3-[2-Methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3-pyridinyl)-1,2,4-oxadiazole
CID 654290
[1-Benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 16298601
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[[4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]benzamide
CID 145977131
N-[4-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 145986724
[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 162645914
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1094867
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2-oxazol-5-amine
CID 156368827
N-[5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]-3-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 156368855

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 16670533) is [1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is COc1ccc(C2(C(=O)N3CCCC(c4ncncc4-c4cc(C)no4)C3)CC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is CDNJMDVLIQJOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-12-21(31-27-16)20-13-25-15-26-22(20)17-4-3-11-28(14-17)23(29)24(9-10-24)18-5-7-19(30-2)8-6-18/h5-8,12-13,15,17H,3-4,9-11,14H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
[1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 418.50 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 16670533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).