N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

C14H15N3O4 — CID 138035110

IUPACN-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESNC(=O)c1coc(CNC(=O)c2onc3c2CCCC3)c1
InChIInChI=1S/C14H15N3O4/c15-13(18)8-5-9(20-7-8)6-16-14(19)12-10-3-1-2-4-11(10)17-21-12/h5,7H,1-4,6H2,(H2,15,18)(H,16,19)
InChIKeyCOOJHFWNAPDZTQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.18
Rot. Bonds4

About N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (PubChem CID 138035110) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
PubChem CID138035110
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESNC(=O)c1coc(CNC(=O)c2onc3c2CCCC3)c1
InChIInChI=1S/C14H15N3O4/c15-13(18)8-5-9(20-7-8)6-16-14(19)12-10-3-1-2-4-11(10)17-21-12/h5,7H,1-4,6H2,(H2,15,18)(H,16,19)
InChIKeyCOOJHFWNAPDZTQ-UHFFFAOYSA-N
XLogP1.18
TPSA111.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 167797599
N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 136566883
N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 139010156
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 122131376
5-(aminomethyl)furan-3-carboxamide
CID 54593471
N-[3-(hydroxymethyl)cyclobutyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 136587081
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126938203
5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide
CID 100651980
5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide
CID 119049704
phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone
CID 134984735
N-[[(2R)-5-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126434484
N-[2-[(2R)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126441982

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (CID 138035110) is N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is NC(=O)c1coc(CNC(=O)c2onc3c2CCCC3)c1.
What is the InChIKey of N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The InChIKey is COOJHFWNAPDZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c15-13(18)8-5-9(20-7-8)6-16-14(19)12-10-3-1-2-4-11(10)17-21-12/h5,7H,1-4,6H2,(H2,15,18)(H,16,19).
What are the key properties of N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 138035110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).