N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide

C18H18N4O2 — CID 166280015

IUPACN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESCn1cc(CN(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)cn1
InChIInChI=1S/C18H18N4O2/c1-21-10-13(8-20-21)11-22(16-6-7-16)18(23)15-4-2-14(3-5-15)17-9-19-12-24-17/h2-5,8-10,12,16H,6-7,11H2,1H3
InChIKeyVTGBCROMGPAEIY-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.88
Rot. Bonds5

About N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide

N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 166280015) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
PubChem CID166280015
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESCn1cc(CN(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)cn1
InChIInChI=1S/C18H18N4O2/c1-21-10-13(8-20-21)11-22(16-6-7-16)18(23)15-4-2-14(3-5-15)17-9-19-12-24-17/h2-5,8-10,12,16H,6-7,11H2,1H3
InChIKeyVTGBCROMGPAEIY-UHFFFAOYSA-N
XLogP2.88
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid
CID 119195360
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 166280018
N-cyclopropyl-N-methyl-4-(1,3-oxazol-5-yl)benzamide
CID 47413926
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91762125
3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 56702352
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 56744170
N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide
CID 73053285
N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide
CID 122522135
N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide
CID 88923825
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 22316930

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide (CID 166280015) is N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide is Cn1cc(CN(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is VTGBCROMGPAEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-10-13(8-20-21)11-22(16-6-7-16)18(23)15-4-2-14(3-5-15)17-9-19-12-24-17/h2-5,8-10,12,16H,6-7,11H2,1H3.
What are the key properties of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide?
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 166280015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).