N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide

C16H16N2O3 — CID 171115267

IUPACN,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2nc(-c3ccco3)oc2c1
InChIInChI=1S/C16H16N2O3/c1-3-18(4-2)16(19)11-7-8-12-14(10-11)21-15(17-12)13-6-5-9-20-13/h5-10H,3-4H2,1-2H3
InChIKeyGZZWWIZLAKBDNZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.57
Rot. Bonds4

About N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide

N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide (PubChem CID 171115267) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide
PubChem CID171115267
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2nc(-c3ccco3)oc2c1
InChIInChI=1S/C16H16N2O3/c1-3-18(4-2)16(19)11-7-8-12-14(10-11)21-15(17-12)13-6-5-9-20-13/h5-10H,3-4H2,1-2H3
InChIKeyGZZWWIZLAKBDNZ-UHFFFAOYSA-N
XLogP3.57
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 713013
3-[2-(6-Methylbenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one
CID 454808
2-(4-methoxybenzyl)-N-(2-methylprop-2-en-1-yl)-1,3-benzoxazole-6-carboxamide
CID 23723678
2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide
CID 24790508
N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2941074
1-[2-(3-Methoxyphenyl)-1,3-benzoxazole-6-carbonyl]isonipecotic acid methyl ester
CID 24790185
1-{[2-(3-Methoxyphenyl)-1,3-benzoxazol-6-yl]carbonyl}-3-piperidinol
CID 24790878
Ethyl 1-{[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]carbonyl}-3-piperidinecarboxylate
CID 24793142
1-(1-{[2-(3-Methoxyphenyl)-1,3-benzoxazol-6-yl]carbonyl}-3-piperidinyl)-1-propanone
CID 24819372
cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide
CID 56675411
5-[(1-methyl-1H-indol-2-yl)carbonyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydro[1,3]oxazolo[5,4-c]pyridine
CID 66609653
2-(Furan-2-yl)benzo[d]oxazole
CID 938024

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide (CID 171115267) is N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide is CCN(CC)C(=O)c1ccc2nc(-c3ccco3)oc2c1.
What is the InChIKey of N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is GZZWWIZLAKBDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-18(4-2)16(19)11-7-8-12-14(10-11)21-15(17-12)13-6-5-9-20-13/h5-10H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide?
N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 171115267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).