1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea

C16H21N5O3 — CID 128977865

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea
SMILESCc1noc(C(NC(=O)Nc2cnccc2C)C2CCOCC2)n1
InChIInChI=1S/C16H21N5O3/c1-10-3-6-17-9-13(10)19-16(22)20-14(12-4-7-23-8-5-12)15-18-11(2)21-24-15/h3,6,9,12,14H,4-5,7-8H2,1-2H3,(H2,19,20,22)
InChIKeyGDBCERPTNSICFD-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.37
Rot. Bonds4

About 1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea

1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea (PubChem CID 128977865) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea
PubChem CID128977865
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea
SMILESCc1noc(C(NC(=O)Nc2cnccc2C)C2CCOCC2)n1
InChIInChI=1S/C16H21N5O3/c1-10-3-6-17-9-13(10)19-16(22)20-14(12-4-7-23-8-5-12)15-18-11(2)21-24-15/h3,6,9,12,14H,4-5,7-8H2,1-2H3,(H2,19,20,22)
InChIKeyGDBCERPTNSICFD-UHFFFAOYSA-N
XLogP2.37
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea with MolForge

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Launch Full Analysis

Related Compounds

1-(4-methyl-3-pyridinyl)-3-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129339097
1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129477625
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-thiophen-3-ylurea
CID 129331095
4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 128987864
2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 129327822
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129340058
1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129330509
2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide
CID 129326419
1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 128985907
1-[(2S)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129351780
1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129328326
3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide
CID 128966227

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea (CID 128977865) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea is Cc1noc(C(NC(=O)Nc2cnccc2C)C2CCOCC2)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea?
The InChIKey is GDBCERPTNSICFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10-3-6-17-9-13(10)19-16(22)20-14(12-4-7-23-8-5-12)15-18-11(2)21-24-15/h3,6,9,12,14H,4-5,7-8H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea has a molecular weight of 331.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea is sourced from PubChem (CID 128977865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).