N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C16H21N3O3 — CID 18133288

IUPACN-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCOCC2CC2)c2c(C)noc2n1
InChIInChI=1S/C16H21N3O3/c1-10-8-13(14-11(2)19-22-16(14)18-10)15(20)17-6-3-7-21-9-12-4-5-12/h8,12H,3-7,9H2,1-2H3,(H,17,20)
InChIKeyRCUCGNDHEJGUNY-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.39
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18133288) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID18133288
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCOCC2CC2)c2c(C)noc2n1
InChIInChI=1S/C16H21N3O3/c1-10-8-13(14-11(2)19-22-16(14)18-10)15(20)17-6-3-7-21-9-12-4-5-12/h8,12H,3-7,9H2,1-2H3,(H,17,20)
InChIKeyRCUCGNDHEJGUNY-UHFFFAOYSA-N
XLogP2.39
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylmethoxy)ethyl]-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86900169
N-(5-hydroxypentyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107318381
3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51112115
N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134788817
3,6-dimethyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119388173
3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 60735807
7-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]heptanoic acid
CID 119227173
N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 115612894
3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36751698
3,6-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71898052
N-[3-(cyclopropylmethoxy)propyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 47078276
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107261244

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 18133288) is N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCCOCC2CC2)c2c(C)noc2n1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RCUCGNDHEJGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-8-13(14-11(2)19-22-16(14)18-10)15(20)17-6-3-7-21-9-12-4-5-12/h8,12H,3-7,9H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18133288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).