N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide

C17H23N5O4 — CID 91760952

IUPACN-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)cn1
InChIInChI=1S/C17H23N5O4/c1-10-13(11(2)26-22-10)8-25-15-4-5-24-9-14(15)21-16(23)12-6-19-17(18-3)20-7-12/h6-7,14-15H,4-5,8-9H2,1-3H3,(H,21,23)(H,18,19,20)/t14-,15+/m1/s1
InChIKeyVQIKRQGFTKNXCV-CABCVRRESA-N
MW361.40 g/mol
LogP1.23
Rot. Bonds6

About N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide

N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide (PubChem CID 91760952) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide
PubChem CID91760952
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC NameN-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)cn1
InChIInChI=1S/C17H23N5O4/c1-10-13(11(2)26-22-10)8-25-15-4-5-24-9-14(15)21-16(23)12-6-19-17(18-3)20-7-12/h6-7,14-15H,4-5,8-9H2,1-3H3,(H,21,23)(H,18,19,20)/t14-,15+/m1/s1
InChIKeyVQIKRQGFTKNXCV-CABCVRRESA-N
XLogP1.23
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyridine-3-carboxamide
CID 91772240
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91786762
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide
CID 91798363
4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide
CID 91793714
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 91781380
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide
CID 91762820
N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 133267712
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 91783291
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide
CID 91760778
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
CID 91780446
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide
CID 91782854
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 91769285

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide (CID 91760952) is N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide is CNc1ncc(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)cn1.
What is the InChIKey of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide?
The InChIKey is VQIKRQGFTKNXCV-CABCVRRESA-N. The full InChI is InChI=1S/C17H23N5O4/c1-10-13(11(2)26-22-10)8-25-15-4-5-24-9-14(15)21-16(23)12-6-19-17(18-3)20-7-12/h6-7,14-15H,4-5,8-9H2,1-3H3,(H,21,23)(H,18,19,20)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide?
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 91760952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).