[4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone

C24H21ClN2O5 — CID 17490081

IUPAC[4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C24H21ClN2O5/c25-17-6-2-1-5-16(17)19-9-10-21(31-19)24(29)27-15-22(23(28)26-11-13-30-14-12-26)32-20-8-4-3-7-18(20)27/h1-10,22H,11-15H2
InChIKeyGIYRTGPMHUKDPO-UHFFFAOYSA-N
MW452.89 g/mol
LogP3.87
Rot. Bonds3

About [4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone

[4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 17490081) has the molecular formula C24H21ClN2O5 and a molecular weight of 452.89 g/mol. Its IUPAC name is [4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
PubChem CID17490081
Molecular FormulaC24H21ClN2O5
Molecular Weight452.89 g/mol
Exact Mass452.11
IUPAC Name[4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C24H21ClN2O5/c25-17-6-2-1-5-16(17)19-9-10-21(31-19)24(29)27-15-22(23(28)26-11-13-30-14-12-26)32-20-8-4-3-7-18(20)27/h1-10,22H,11-15H2
InChIKeyGIYRTGPMHUKDPO-UHFFFAOYSA-N
XLogP3.87
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.89
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone 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

[(2S)-4-(3,5-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 27446728
[4-[5-(4-fluorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 17437340
cyclopentyl-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 71901442
[4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 17464763
[(2R)-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 9246660
[4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 42887896
[(2R)-4-(4-chloro-3-nitrobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 27446687
4-chloro-N,N-dimethyl-3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]benzenesulfonamide
CID 24506227
[(2S)-4-(3-bromobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 27446704
morpholin-4-yl-[(2R)-4-[4-(trifluoromethyl)benzoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]methanone
CID 27446701
[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42000409
morpholin-4-yl-[(2R)-4-(quinoxaline-2-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanone
CID 9450478

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone (CID 17490081) is [4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone is O=C(C1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)c2ccccc2O1)N1CCOCC1.
What is the InChIKey of [4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GIYRTGPMHUKDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5/c25-17-6-2-1-5-16(17)19-9-10-21(31-19)24(29)27-15-22(23(28)26-11-13-30-14-12-26)32-20-8-4-3-7-18(20)27/h1-10,22H,11-15H2.
What are the key properties of [4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone?
[4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 452.89 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 17490081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).