N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide

C18H23N3O4 — CID 124891285

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)nc2)on1
InChIInChI=1S/C18H23N3O4/c1-18(2,3)14-9-16(25-21-14)20-17(22)12-6-7-15(19-10-12)24-11-13-5-4-8-23-13/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyBKVLXJPCIKQLBQ-ZDUSSCGKSA-N
MW345.40 g/mol
LogP3.18
Rot. Bonds5

About N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide (PubChem CID 124891285) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide
PubChem CID124891285
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)nc2)on1
InChIInChI=1S/C18H23N3O4/c1-18(2,3)14-9-16(25-21-14)20-17(22)12-6-7-15(19-10-12)24-11-13-5-4-8-23-13/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyBKVLXJPCIKQLBQ-ZDUSSCGKSA-N
XLogP3.18
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[[(2S)-oxolan-2-yl]methoxy]-N-pyridin-2-ylpyridine-3-carboxamide
CID 124892848
N-(2-ethylphenyl)-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 119100066
N-(4-methylpiperazin-1-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide
CID 124892168
N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017303
N,N-dimethyl-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017281
ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 121017310
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide
CID 71103757
N-[(4-fluorophenyl)methyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017286
6-[[(2S)-oxolan-2-yl]methoxy]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 124725193
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide
CID 24702377
4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
CID 17232441

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide (CID 124891285) is N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide is CC(C)(C)c1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)nc2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide?
The InChIKey is BKVLXJPCIKQLBQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-18(2,3)14-9-16(25-21-14)20-17(22)12-6-7-15(19-10-12)24-11-13-5-4-8-23-13/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 124891285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).