(7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione

C20H23N5O4 — CID 92561265

IUPAC(7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione
SMILESCc1cccc(C)c1Nc1noc2c1CN(C(=O)[C@@H]1CCC(=O)NC(=O)N1)CC2
InChIInChI=1S/C20H23N5O4/c1-11-4-3-5-12(2)17(11)23-18-13-10-25(9-8-15(13)29-24-18)19(27)14-6-7-16(26)22-20(28)21-14/h3-5,14H,6-10H2,1-2H3,(H,23,24)(H2,21,22,26,28)/t14-/m0/s1
InChIKeyHYCNVFFGRMLEHQ-AWEZNQCLSA-N
MW397.44 g/mol
LogP1.91
Rot. Bonds3

About (7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione

(7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione (PubChem CID 92561265) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is (7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione.

Molecular Properties

Compound Name(7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione
PubChem CID92561265
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name(7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione
SMILESCc1cccc(C)c1Nc1noc2c1CN(C(=O)[C@@H]1CCC(=O)NC(=O)N1)CC2
InChIInChI=1S/C20H23N5O4/c1-11-4-3-5-12(2)17(11)23-18-13-10-25(9-8-15(13)29-24-18)19(27)14-6-7-16(26)22-20(28)21-14/h3-5,14H,6-10H2,1-2H3,(H,23,24)(H2,21,22,26,28)/t14-/m0/s1
InChIKeyHYCNVFFGRMLEHQ-AWEZNQCLSA-N
XLogP1.91
TPSA116.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione?
The IUPAC name of (7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione (CID 92561265) is (7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione.
What is the SMILES notation for (7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione?
The canonical SMILES for (7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione is Cc1cccc(C)c1Nc1noc2c1CN(C(=O)[C@@H]1CCC(=O)NC(=O)N1)CC2.
What is the InChIKey of (7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione?
The InChIKey is HYCNVFFGRMLEHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-11-4-3-5-12(2)17(11)23-18-13-10-25(9-8-15(13)29-24-18)19(27)14-6-7-16(26)22-20(28)21-14/h3-5,14H,6-10H2,1-2H3,(H,23,24)(H2,21,22,26,28)/t14-/m0/s1.
What are the key properties of (7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione?
(7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione has a molecular weight of 397.44 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione is sourced from PubChem (CID 92561265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).