4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide

C15H12N4O3 — CID 71860667

IUPAC4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide
SMILESCOCc1nc2cc(NC(=O)c3cc(C#N)c[nH]3)ccc2o1
InChIInChI=1S/C15H12N4O3/c1-21-8-14-19-11-5-10(2-3-13(11)22-14)18-15(20)12-4-9(6-16)7-17-12/h2-5,7,17H,8H2,1H3,(H,18,20)
InChIKeyDRZCPMANLHSIEY-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.43
Rot. Bonds4

About 4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide

4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide (PubChem CID 71860667) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide
PubChem CID71860667
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide
SMILESCOCc1nc2cc(NC(=O)c3cc(C#N)c[nH]3)ccc2o1
InChIInChI=1S/C15H12N4O3/c1-21-8-14-19-11-5-10(2-3-13(11)22-14)18-15(20)12-4-9(6-16)7-17-12/h2-5,7,17H,8H2,1H3,(H,18,20)
InChIKeyDRZCPMANLHSIEY-UHFFFAOYSA-N
XLogP2.43
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methylbutanamide;hydrochloride
CID 120502106
2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119815470
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide
CID 119815454
1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
CID 119341847
7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride
CID 119815437
N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60933557
N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide
CID 122148357
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
(2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride
CID 119339802
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
CID 75526044
2-(methoxymethyl)-5-methyl-1,3-benzoxazole
CID 123289847
methyl 5-(1,2,2-tricyanoethenylamino)-1,3-benzoxazole-2-carboxylate
CID 168608931

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide (CID 71860667) is 4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide is COCc1nc2cc(NC(=O)c3cc(C#N)c[nH]3)ccc2o1.
What is the InChIKey of 4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is DRZCPMANLHSIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-21-8-14-19-11-5-10(2-3-13(11)22-14)18-15(20)12-4-9(6-16)7-17-12/h2-5,7,17H,8H2,1H3,(H,18,20).
What are the key properties of 4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide?
4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71860667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).