(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

C16H18ClN3O2 — CID 71866688

IUPAC(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCN(C)c3ccc(Cl)cc32)o1
InChIInChI=1S/C16H18ClN3O2/c1-10-15(22-11(2)18-10)16(21)20-8-4-7-19(3)13-6-5-12(17)9-14(13)20/h5-6,9H,4,7-8H2,1-3H3
InChIKeyOUOPDNXMHNASSY-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.43
Rot. Bonds1

About (7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (PubChem CID 71866688) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is (7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
PubChem CID71866688
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCN(C)c3ccc(Cl)cc32)o1
InChIInChI=1S/C16H18ClN3O2/c1-10-15(22-11(2)18-10)16(21)20-8-4-7-19(3)13-6-5-12(17)9-14(13)20/h5-6,9H,4,7-8H2,1-3H3
InChIKeyOUOPDNXMHNASSY-UHFFFAOYSA-N
XLogP3.43
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127907855
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-methyl-2,3-dihydroindol-1-yl)methanone
CID 71866904
(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 71863520
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 166272767
2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine
CID 84629586
(7-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 71976135
1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 110684804
3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine
CID 84635075
3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684715
1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 70774838
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 112822241

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of (7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (CID 71866688) is (7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for (7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CCCN(C)c3ccc(Cl)cc32)o1.
What is the InChIKey of (7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The InChIKey is OUOPDNXMHNASSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10-15(22-11(2)18-10)16(21)20-8-4-7-19(3)13-6-5-12(17)9-14(13)20/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of (7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone has a molecular weight of 319.79 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 71866688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).