7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one

C16H18N2O3 — CID 99640763

IUPAC7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one
SMILESC[C@@H](CCc1ccco1)Nc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C16H18N2O3/c1-11(4-6-13-3-2-8-20-13)17-12-5-7-14-15(9-12)21-10-16(19)18-14/h2-3,5,7-9,11,17H,4,6,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyBVPDZXDPHLUJAM-NSHDSACASA-N
MW286.33 g/mol
LogP3.04
Rot. Bonds5

About 7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one

7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one (PubChem CID 99640763) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one
PubChem CID99640763
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one
SMILESC[C@@H](CCc1ccco1)Nc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C16H18N2O3/c1-11(4-6-13-3-2-8-20-13)17-12-5-7-14-15(9-12)21-10-16(19)18-14/h2-3,5,7-9,11,17H,4,6,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyBVPDZXDPHLUJAM-NSHDSACASA-N
XLogP3.04
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
1-(3-methylbutyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893078
N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline
CID 43745442
6-(octan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43129967
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817
[3-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43715225
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8801198
3-ethynyl-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 43478753
5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one
CID 78913335

Frequently Asked Questions

What is the IUPAC name of 7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one (CID 99640763) is 7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one is C[C@@H](CCc1ccco1)Nc1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one?
The InChIKey is BVPDZXDPHLUJAM-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(4-6-13-3-2-8-20-13)17-12-5-7-14-15(9-12)21-10-16(19)18-14/h2-3,5,7-9,11,17H,4,6,10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one?
7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one has a molecular weight of 286.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 99640763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).