2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide

C18H25N5O2 — CID 91945584

IUPAC2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)no1
InChIInChI=1S/C18H25N5O2/c1-12(2)14-11-15(17(24)21-16-10-13(3)25-22-16)20-18(19-14)23-8-6-4-5-7-9-23/h10-12H,4-9H2,1-3H3,(H,21,22,24)
InChIKeyOEGRHYSBEDWVID-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.53
Rot. Bonds4

About 2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide

2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 91945584) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID91945584
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)no1
InChIInChI=1S/C18H25N5O2/c1-12(2)14-11-15(17(24)21-16-10-13(3)25-22-16)20-18(19-14)23-8-6-4-5-7-9-23/h10-12H,4-9H2,1-3H3,(H,21,22,24)
InChIKeyOEGRHYSBEDWVID-UHFFFAOYSA-N
XLogP3.53
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830560
2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide
CID 91945576
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325856
2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 71830697
2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 91954044
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302195
N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide
CID 91948480
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone
CID 97416235
2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957707
N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91958049
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312759
[2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62250697

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide (CID 91945584) is 2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide is Cc1cc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)no1.
What is the InChIKey of 2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is OEGRHYSBEDWVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)14-11-15(17(24)21-16-10-13(3)25-22-16)20-18(19-14)23-8-6-4-5-7-9-23/h10-12H,4-9H2,1-3H3,(H,21,22,24).
What are the key properties of 2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide?
2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91945584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).