1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea

C15H18N4O3 — CID 138026074

IUPAC1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea
SMILESCCc1ccc(NC(=O)NCc2noc3c2COCC3)nc1
InChIInChI=1S/C15H18N4O3/c1-2-10-3-4-14(16-7-10)18-15(20)17-8-12-11-9-21-6-5-13(11)22-19-12/h3-4,7H,2,5-6,8-9H2,1H3,(H2,16,17,18,20)
InChIKeyYOWDENNOTJCTHX-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.03
Rot. Bonds4

About 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea

1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea (PubChem CID 138026074) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea
PubChem CID138026074
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea
SMILESCCc1ccc(NC(=O)NCc2noc3c2COCC3)nc1
InChIInChI=1S/C15H18N4O3/c1-2-10-3-4-14(16-7-10)18-15(20)17-8-12-11-9-21-6-5-13(11)22-19-12/h3-4,7H,2,5-6,8-9H2,1H3,(H2,16,17,18,20)
InChIKeyYOWDENNOTJCTHX-UHFFFAOYSA-N
XLogP2.03
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea with MolForge

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Launch Full Analysis

Related Compounds

1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-[4-[(dimethylamino)methyl]-2-pyridinyl]urea
CID 138025925
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-[5-(methoxymethyl)-1,3-thiazol-2-yl]urea
CID 138025312
1-(1,2-benzothiazol-3-yl)-3-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)urea
CID 167958131
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea
CID 138025032
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea
CID 154770302
cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 166275317
N-(5-ethyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 139271830
1-[5-(aminomethyl)-2-pyridinyl]-3-butylurea
CID 62354751
6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl 4-oxo-3H-phthalazine-1-carboxylate
CID 155969899
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea
CID 138027802
N-[(5-bromopyrimidin-2-yl)methyl]-1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-N-methylmethanamine
CID 136563460
1-(5-bromo-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867750

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea (CID 138026074) is 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea is CCc1ccc(NC(=O)NCc2noc3c2COCC3)nc1.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea?
The InChIKey is YOWDENNOTJCTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-10-3-4-14(16-7-10)18-15(20)17-8-12-11-9-21-6-5-13(11)22-19-12/h3-4,7H,2,5-6,8-9H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea?
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea has a molecular weight of 302.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea is sourced from PubChem (CID 138026074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).