2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide

C16H21N5O3 — CID 137200023

IUPAC2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCN(c3cc(=O)[nH]cn3)CC2)o1
InChIInChI=1S/C16H21N5O3/c1-10-15(24-11(2)20-10)16(23)17-8-12-3-5-21(6-4-12)13-7-14(22)19-9-18-13/h7,9,12H,3-6,8H2,1-2H3,(H,17,23)(H,18,19,22)
InChIKeyYEARCHTXZWKZJH-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.02
Rot. Bonds4

About 2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 137200023) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID137200023
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCN(c3cc(=O)[nH]cn3)CC2)o1
InChIInChI=1S/C16H21N5O3/c1-10-15(24-11(2)20-10)16(23)17-8-12-3-5-21(6-4-12)13-7-14(22)19-9-18-13/h7,9,12H,3-6,8H2,1-2H3,(H,17,23)(H,18,19,22)
InChIKeyYEARCHTXZWKZJH-UHFFFAOYSA-N
XLogP1.02
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 137242292
N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131942655
3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 137200016
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136958068
N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131923088
N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 137205321
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137008019
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-oxazole-5-carboxamide;formic acid
CID 154913506
4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989738
2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 131925944
4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957515
N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 146044965

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide (CID 137200023) is 2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC2CCN(c3cc(=O)[nH]cn3)CC2)o1.
What is the InChIKey of 2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is YEARCHTXZWKZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10-15(24-11(2)20-10)16(23)17-8-12-3-5-21(6-4-12)13-7-14(22)19-9-18-13/h7,9,12H,3-6,8H2,1-2H3,(H,17,23)(H,18,19,22).
What are the key properties of 2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 137200023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).