3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide

C17H17N3O4 — CID 71914587

IUPAC3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1
InChIInChI=1S/C17H17N3O4/c1-11-4-7-23-15(11)16(21)18-12-2-3-13-14(10-12)24-17(19-13)20-5-8-22-9-6-20/h2-4,7,10H,5-6,8-9H2,1H3,(H,18,21)
InChIKeyNYPBOBRGPRPRDV-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.82
Rot. Bonds3

About 3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide

3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide (PubChem CID 71914587) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide
PubChem CID71914587
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1
InChIInChI=1S/C17H17N3O4/c1-11-4-7-23-15(11)16(21)18-12-2-3-13-14(10-12)24-17(19-13)20-5-8-22-9-6-20/h2-4,7,10H,5-6,8-9H2,1H3,(H,18,21)
InChIKeyNYPBOBRGPRPRDV-UHFFFAOYSA-N
XLogP2.82
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride
CID 120705137
3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid
CID 122088077
2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide
CID 167820457
3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 87000879
(3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124851972
N-(9H-fluoren-2-yl)-3-methylfuran-2-carboxamide
CID 38708919
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 86923783
3-[2-methyl-5-[(3-methylfuran-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 77011731

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide (CID 71914587) is 3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide?
The InChIKey is NYPBOBRGPRPRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11-4-7-23-15(11)16(21)18-12-2-3-13-14(10-12)24-17(19-13)20-5-8-22-9-6-20/h2-4,7,10H,5-6,8-9H2,1H3,(H,18,21).
What are the key properties of 3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide?
3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide is sourced from PubChem (CID 71914587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).