N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C16H21N5O2 — CID 72914801

IUPACN,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1nc(C)c(C)c(N2CCc3onc(C(=O)N(C)C)c3C2)n1
InChIInChI=1S/C16H21N5O2/c1-9-10(2)17-11(3)18-15(9)21-7-6-13-12(8-21)14(19-23-13)16(22)20(4)5/h6-8H2,1-5H3
InChIKeyHODTZHLBFFAUSC-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.65
Rot. Bonds2

About N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 72914801) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID72914801
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1nc(C)c(C)c(N2CCc3onc(C(=O)N(C)C)c3C2)n1
InChIInChI=1S/C16H21N5O2/c1-9-10(2)17-11(3)18-15(9)21-7-6-13-12(8-21)14(19-23-13)16(22)20(4)5/h6-8H2,1-5H3
InChIKeyHODTZHLBFFAUSC-UHFFFAOYSA-N
XLogP1.65
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 71696038
(5-Methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2812702
1-(4-{5H,6H,7H-Cyclopenta[D]pyrimidin-4-YL}piperazin-1-YL)-3-(3,5-dimethyl-1,2-oxazol-4-YL)propan-1-one
CID 53192950
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 75461173
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 53192951
8-[2-(3,5-Dimethyl-1,2-oxazol-4-YL)ethyl]-4-methyl-5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-7-one
CID 53193750
7-[(3,5-dimethylisoxazol-4-yl)acetyl]-4-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56916696
1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-pyrrolidinyl]-2-(3,5-dimethyl-4-isoxazolyl)-1-ethanone
CID 71836247
N~1~-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)tetrahydro-1H-pyrrol-3-yl]-2-(3,5-dimethyl-4-isoxazolyl)acetamide
CID 71836302
6-[(5-isopropylisoxazol-3-yl)carbonyl]-N-methyl-4-(pyrrolidin-1-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 72890578
3-[3-Ethyl-4-(piperidin-1-YL)-[1,2]oxazolo[5,4-D]pyrimidin-6-YL]-N-propylpropanamide
CID 53116090
N,N-Dimethyl-3-[2-(1-{5-methyl-4-[(piperidin-1-YL)methyl]-1,2-oxazole-3-carbonyl}piperidin-4-YL)ethyl]-1,2,4-oxadiazol-5-amine
CID 132340510

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 72914801) is N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is Cc1nc(C)c(C)c(N2CCc3onc(C(=O)N(C)C)c3C2)n1.
What is the InChIKey of N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is HODTZHLBFFAUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-9-10(2)17-11(3)18-15(9)21-7-6-13-12(8-21)14(19-23-13)16(22)20(4)5/h6-8H2,1-5H3.
What are the key properties of N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 72914801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).