5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one

C17H14ClN3O3 — CID 95774430

IUPAC5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one
SMILESO=C1[C@H](Nc2ccc3oc(=O)[nH]c3c2)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O3/c18-10-1-4-12(5-2-10)21-8-7-13(16(21)22)19-11-3-6-15-14(9-11)20-17(23)24-15/h1-6,9,13,19H,7-8H2,(H,20,23)/t13-/m1/s1
InChIKeyIJFWBNQAGMQZPC-CYBMUJFWSA-N
MW343.77 g/mol
LogP2.99
Rot. Bonds3

About 5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one

5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one (PubChem CID 95774430) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one
PubChem CID95774430
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one
SMILESO=C1[C@H](Nc2ccc3oc(=O)[nH]c3c2)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O3/c18-10-1-4-12(5-2-10)21-8-7-13(16(21)22)19-11-3-6-15-14(9-11)20-17(23)24-15/h1-6,9,13,19H,7-8H2,(H,20,23)/t13-/m1/s1
InChIKeyIJFWBNQAGMQZPC-CYBMUJFWSA-N
XLogP2.99
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

7-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126781084
5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 97011173
3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one
CID 96568016
5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one
CID 65044585
5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one
CID 93275329
5-(3,4-dihydro-2H-thiochromen-4-ylamino)-3H-1,3-benzoxazol-2-one
CID 43741509
7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126785620
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110410892
5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one
CID 79458762
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3H-1,3-benzoxazol-2-one
CID 106658517
5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 43741578

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one (CID 95774430) is 5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one is O=C1[C@H](Nc2ccc3oc(=O)[nH]c3c2)CCN1c1ccc(Cl)cc1.
What is the InChIKey of 5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is IJFWBNQAGMQZPC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-10-1-4-12(5-2-10)21-8-7-13(16(21)22)19-11-3-6-15-14(9-11)20-17(23)24-15/h1-6,9,13,19H,7-8H2,(H,20,23)/t13-/m1/s1.
What are the key properties of 5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one?
5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 343.77 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 95774430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).