N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide

C16H21N3O3 — CID 70760488

IUPACN-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOCC(c1ccccn1)N(C)C(=O)c1cc(C(C)C)on1
InChIInChI=1S/C16H21N3O3/c1-11(2)15-9-13(18-22-15)16(20)19(3)14(10-21-4)12-7-5-6-8-17-12/h5-9,11,14H,10H2,1-4H3
InChIKeyXJQKVNJWGLDPJU-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.65
Rot. Bonds6

About N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 70760488) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID70760488
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOCC(c1ccccn1)N(C)C(=O)c1cc(C(C)C)on1
InChIInChI=1S/C16H21N3O3/c1-11(2)15-9-13(18-22-15)16(20)19(3)14(10-21-4)12-7-5-6-8-17-12/h5-9,11,14H,10H2,1-4H3
InChIKeyXJQKVNJWGLDPJU-UHFFFAOYSA-N
XLogP2.65
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97146350
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74239636
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 95123486
1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 77092549
3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
CID 125439779
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea
CID 126447147
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
CID 131933604
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide
CID 97152757
4-(2,5-dimethylphenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 119066040
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,3,5-trimethyl-1H-indole-2-carboxamide
CID 97132449
6-fluoro-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 74242682
4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide
CID 172662620

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 70760488) is N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide is COCC(c1ccccn1)N(C)C(=O)c1cc(C(C)C)on1.
What is the InChIKey of N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is XJQKVNJWGLDPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(2)15-9-13(18-22-15)16(20)19(3)14(10-21-4)12-7-5-6-8-17-12/h5-9,11,14H,10H2,1-4H3.
What are the key properties of N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70760488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).