8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

C13H15N3O3 — CID 23554568

IUPAC8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(Cc2cnco2)CCc2ccoc21
InChIInChI=1S/C13H15N3O3/c1-14-11-12-9(3-5-18-12)2-4-16(13(11)17)7-10-6-15-8-19-10/h3,5-6,8,11,14H,2,4,7H2,1H3
InChIKeyDVDZCMLGYYYETH-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.11
Rot. Bonds3

About 8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (PubChem CID 23554568) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.

Molecular Properties

Compound Name8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
PubChem CID23554568
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(Cc2cnco2)CCc2ccoc21
InChIInChI=1S/C13H15N3O3/c1-14-11-12-9(3-5-18-12)2-4-16(13(11)17)7-10-6-15-8-19-10/h3,5-6,8,11,14H,2,4,7H2,1H3
InChIKeyDVDZCMLGYYYETH-UHFFFAOYSA-N
XLogP1.11
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 43042083
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 43042085
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 43042086
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 43042088
5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide
CID 96996343
(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97879149
N,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]-1,3-oxazole-2-carboxamide
CID 137955682
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30260504
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30260509
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 30260529
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 30260533
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 30260537

Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The IUPAC name of 8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (CID 23554568) is 8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.
What is the SMILES notation for 8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The canonical SMILES for 8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is CNC1C(=O)N(Cc2cnco2)CCc2ccoc21.
What is the InChIKey of 8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The InChIKey is DVDZCMLGYYYETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-14-11-12-9(3-5-18-12)2-4-16(13(11)17)7-10-6-15-8-19-10/h3,5-6,8,11,14H,2,4,7H2,1H3.
What are the key properties of 8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one has a molecular weight of 261.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is sourced from PubChem (CID 23554568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).