1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea

C15H20N4O2 — CID 97423461

IUPAC1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea
SMILESCCNC(=O)NC[C@H]1COCc2nc3ccc(C)cc3n21
InChIInChI=1S/C15H20N4O2/c1-3-16-15(20)17-7-11-8-21-9-14-18-12-5-4-10(2)6-13(12)19(11)14/h4-6,11H,3,7-9H2,1-2H3,(H2,16,17,20)/t11-/m0/s1
InChIKeyAOMRLABTACGUST-NSHDSACASA-N
MW288.35 g/mol
LogP1.74
Rot. Bonds3

About 1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea

1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea (PubChem CID 97423461) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea
PubChem CID97423461
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea
SMILESCCNC(=O)NC[C@H]1COCc2nc3ccc(C)cc3n21
InChIInChI=1S/C15H20N4O2/c1-3-16-15(20)17-7-11-8-21-9-14-18-12-5-4-10(2)6-13(12)19(11)14/h4-6,11H,3,7-9H2,1-2H3,(H2,16,17,20)/t11-/m0/s1
InChIKeyAOMRLABTACGUST-NSHDSACASA-N
XLogP1.74
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea (CID 97423461) is 1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea is CCNC(=O)NC[C@H]1COCc2nc3ccc(C)cc3n21.
What is the InChIKey of 1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea?
The InChIKey is AOMRLABTACGUST-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-16-15(20)17-7-11-8-21-9-14-18-12-5-4-10(2)6-13(12)19(11)14/h4-6,11H,3,7-9H2,1-2H3,(H2,16,17,20)/t11-/m0/s1.
What are the key properties of 1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea?
1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea has a molecular weight of 288.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea is sourced from PubChem (CID 97423461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).