3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one

C19H16ClN3O3 — CID 3936041

IUPAC3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
SMILESCc1noc(N)c1C1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C19H16ClN3O3/c1-11-16(17(21)26-22-11)19(25)13-7-3-5-9-15(13)23(18(19)24)10-12-6-2-4-8-14(12)20/h2-9,25H,10,21H2,1H3
InChIKeyMWMSRAJXDGVPMT-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.00
Rot. Bonds3

About 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one

3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one (PubChem CID 3936041) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
PubChem CID3936041
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
SMILESCc1noc(N)c1C1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C19H16ClN3O3/c1-11-16(17(21)26-22-11)19(25)13-7-3-5-9-15(13)23(18(19)24)10-12-6-2-4-8-14(12)20/h2-9,25H,10,21H2,1H3
InChIKeyMWMSRAJXDGVPMT-UHFFFAOYSA-N
XLogP3.00
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one?
The IUPAC name of 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one (CID 3936041) is 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one.
What is the SMILES notation for 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one?
The canonical SMILES for 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one is Cc1noc(N)c1C1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one?
The InChIKey is MWMSRAJXDGVPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-11-16(17(21)26-22-11)19(25)13-7-3-5-9-15(13)23(18(19)24)10-12-6-2-4-8-14(12)20/h2-9,25H,10,21H2,1H3.
What are the key properties of 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one?
3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one has a molecular weight of 369.81 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 3936041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).