N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C18H21N5O3 — CID 167974363

IUPACN-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(C)(C)OCc1cc(CNC(=O)c2ccc(-c3cn[nH]c3)cn2)no1
InChIInChI=1S/C18H21N5O3/c1-18(2,3)25-11-15-6-14(23-26-15)10-20-17(24)16-5-4-12(7-19-16)13-8-21-22-9-13/h4-9H,10-11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyRTAIBFXMVMYACF-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.70
Rot. Bonds6

About N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 167974363) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID167974363
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(C)(C)OCc1cc(CNC(=O)c2ccc(-c3cn[nH]c3)cn2)no1
InChIInChI=1S/C18H21N5O3/c1-18(2,3)25-11-15-6-14(23-26-15)10-20-17(24)16-5-4-12(7-19-16)13-8-21-22-9-13/h4-9H,10-11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyRTAIBFXMVMYACF-UHFFFAOYSA-N
XLogP2.70
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 167973392
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62455470
N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 166261832
3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010777
5-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166250475
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 46968640
(1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124621003
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 74229782
8-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]quinolin-4-amine
CID 133498541
4-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-4-phenylazepane-1-carboxamide
CID 126811000
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 63722358

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 167974363) is N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide is CC(C)(C)OCc1cc(CNC(=O)c2ccc(-c3cn[nH]c3)cn2)no1.
What is the InChIKey of N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is RTAIBFXMVMYACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-18(2,3)25-11-15-6-14(23-26-15)10-20-17(24)16-5-4-12(7-19-16)13-8-21-22-9-13/h4-9H,10-11H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 167974363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).