1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea

C18H20N4O3 — CID 99825197

IUPAC1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea
SMILESCCc1nc2cc(NC(=O)N[C@@H](C)c3ccncc3OC)ccc2o1
InChIInChI=1S/C18H20N4O3/c1-4-17-22-14-9-12(5-6-15(14)25-17)21-18(23)20-11(2)13-7-8-19-10-16(13)24-3/h5-11H,4H2,1-3H3,(H2,20,21,23)/t11-/m0/s1
InChIKeyCFJRAUAOXRUKMC-NSHDSACASA-N
MW340.38 g/mol
LogP3.68
Rot. Bonds5

About 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea

1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea (PubChem CID 99825197) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea
PubChem CID99825197
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea
SMILESCCc1nc2cc(NC(=O)N[C@@H](C)c3ccncc3OC)ccc2o1
InChIInChI=1S/C18H20N4O3/c1-4-17-22-14-9-12(5-6-15(14)25-17)21-18(23)20-11(2)13-7-8-19-10-16(13)24-3/h5-11H,4H2,1-3H3,(H2,20,21,23)/t11-/m0/s1
InChIKeyCFJRAUAOXRUKMC-NSHDSACASA-N
XLogP3.68
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea with MolForge

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Related Compounds

1-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea
CID 99824651
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
CID 106111892
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[1-(3-methoxy-4-pyridinyl)ethyl]urea
CID 126777839
3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 62837775
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
CID 63102295
4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 60549765
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
CID 103803702

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea?
The IUPAC name of 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea (CID 99825197) is 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea?
The canonical SMILES for 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea is CCc1nc2cc(NC(=O)N[C@@H](C)c3ccncc3OC)ccc2o1.
What is the InChIKey of 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea?
The InChIKey is CFJRAUAOXRUKMC-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-17-22-14-9-12(5-6-15(14)25-17)21-18(23)20-11(2)13-7-8-19-10-16(13)24-3/h5-11H,4H2,1-3H3,(H2,20,21,23)/t11-/m0/s1.
What are the key properties of 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea?
1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea has a molecular weight of 340.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea is sourced from PubChem (CID 99825197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).