(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C18H22N4O4 — CID 41397393

IUPAC(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(N[C@@H](C)C(=O)Nc2cc(C)no2)ccc1N1CCCC1=O
InChIInChI=1S/C18H22N4O4/c1-11-9-16(26-21-11)20-18(24)12(2)19-13-6-7-14(15(10-13)25-3)22-8-4-5-17(22)23/h6-7,9-10,12,19H,4-5,8H2,1-3H3,(H,20,24)/t12-/m0/s1
InChIKeyBBVSVVHZBVLGAJ-LBPRGKRZSA-N
MW358.40 g/mol
LogP2.56
Rot. Bonds6

About (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 41397393) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID41397393
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(N[C@@H](C)C(=O)Nc2cc(C)no2)ccc1N1CCCC1=O
InChIInChI=1S/C18H22N4O4/c1-11-9-16(26-21-11)20-18(24)12(2)19-13-6-7-14(15(10-13)25-3)22-8-4-5-17(22)23/h6-7,9-10,12,19H,4-5,8H2,1-3H3,(H,20,24)/t12-/m0/s1
InChIKeyBBVSVVHZBVLGAJ-LBPRGKRZSA-N
XLogP2.56
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 30572946
(2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 41397353
N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493763
(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide
CID 41397283
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 41397253
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
N-(4-ethylphenyl)-2-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 55684188
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71806057
2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide
CID 42935065

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 41397393) is (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is COc1cc(N[C@@H](C)C(=O)Nc2cc(C)no2)ccc1N1CCCC1=O.
What is the InChIKey of (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is BBVSVVHZBVLGAJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11-9-16(26-21-11)20-18(24)12(2)19-13-6-7-14(15(10-13)25-3)22-8-4-5-17(22)23/h6-7,9-10,12,19H,4-5,8H2,1-3H3,(H,20,24)/t12-/m0/s1.
What are the key properties of (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 358.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 41397393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).