N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide

C16H16N4O3 — CID 155533921

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2cccc(O)c2)cn1
InChIInChI=1S/C16H16N4O3/c1-10-15(11(2)23-19-10)9-20-8-13(7-17-20)18-16(22)12-4-3-5-14(21)6-12/h3-8,21H,9H2,1-2H3,(H,18,22)
InChIKeyCCJKRHNWTIPHAC-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.49
Rot. Bonds4

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide (PubChem CID 155533921) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide
PubChem CID155533921
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2cccc(O)c2)cn1
InChIInChI=1S/C16H16N4O3/c1-10-15(11(2)23-19-10)9-20-8-13(7-17-20)18-16(22)12-4-3-5-14(21)6-12/h3-8,21H,9H2,1-2H3,(H,18,22)
InChIKeyCCJKRHNWTIPHAC-UHFFFAOYSA-N
XLogP2.49
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide (CID 155533921) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide is Cc1noc(C)c1Cn1cc(NC(=O)c2cccc(O)c2)cn1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide?
The InChIKey is CCJKRHNWTIPHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-15(11(2)23-19-10)9-20-8-13(7-17-20)18-16(22)12-4-3-5-14(21)6-12/h3-8,21H,9H2,1-2H3,(H,18,22).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide has a molecular weight of 312.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-hydroxybenzamide is sourced from PubChem (CID 155533921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).