1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea

C20H22N4O2 — CID 167826499

IUPAC1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea
SMILESCCc1nc2cc(NC(=O)NCC3c4ccccc4CN3C)ccc2o1
InChIInChI=1S/C20H22N4O2/c1-3-19-23-16-10-14(8-9-18(16)26-19)22-20(25)21-11-17-15-7-5-4-6-13(15)12-24(17)2/h4-10,17H,3,11-12H2,1-2H3,(H2,21,22,25)
InChIKeyGNRUNSIGEBOSQR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.70
Rot. Bonds4

About 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea

1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea (PubChem CID 167826499) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea
PubChem CID167826499
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea
SMILESCCc1nc2cc(NC(=O)NCC3c4ccccc4CN3C)ccc2o1
InChIInChI=1S/C20H22N4O2/c1-3-19-23-16-10-14(8-9-18(16)26-19)22-20(25)21-11-17-15-7-5-4-6-13(15)12-24(17)2/h4-10,17H,3,11-12H2,1-2H3,(H2,21,22,25)
InChIKeyGNRUNSIGEBOSQR-UHFFFAOYSA-N
XLogP3.70
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea with MolForge

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Related Compounds

4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
CID 75526044
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 94194100
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide
CID 96997193
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757
5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
CID 103803702
3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
CID 106111892

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea?
The IUPAC name of 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea (CID 167826499) is 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea.
What is the SMILES notation for 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea?
The canonical SMILES for 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea is CCc1nc2cc(NC(=O)NCC3c4ccccc4CN3C)ccc2o1.
What is the InChIKey of 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea?
The InChIKey is GNRUNSIGEBOSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-19-23-16-10-14(8-9-18(16)26-19)22-20(25)21-11-17-15-7-5-4-6-13(15)12-24(17)2/h4-10,17H,3,11-12H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea?
1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea has a molecular weight of 350.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]urea is sourced from PubChem (CID 167826499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).