1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea

C17H29N3O3 — CID 97340875

IUPAC1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
SMILESCc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H]1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H29N3O3/c1-10(14-11(2)20-22-12(14)3)9-18-15(21)19-13-8-16(4,5)23-17(13,6)7/h10,13H,8-9H2,1-7H3,(H2,18,19,21)/t10-,13+/m0/s1
InChIKeyYMEWGJYFJJDKOT-GXFFZTMASA-N
MW323.44 g/mol
LogP3.04
Rot. Bonds4

About 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea

1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea (PubChem CID 97340875) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
PubChem CID97340875
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
SMILESCc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H]1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H29N3O3/c1-10(14-11(2)20-22-12(14)3)9-18-15(21)19-13-8-16(4,5)23-17(13,6)7/h10,13H,8-9H2,1-7H3,(H2,18,19,21)/t10-,13+/m0/s1
InChIKeyYMEWGJYFJJDKOT-GXFFZTMASA-N
XLogP3.04
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea?
The IUPAC name of 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea (CID 97340875) is 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea.
What is the SMILES notation for 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea?
The canonical SMILES for 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea is Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H]1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea?
The InChIKey is YMEWGJYFJJDKOT-GXFFZTMASA-N. The full InChI is InChI=1S/C17H29N3O3/c1-10(14-11(2)20-22-12(14)3)9-18-15(21)19-13-8-16(4,5)23-17(13,6)7/h10,13H,8-9H2,1-7H3,(H2,18,19,21)/t10-,13+/m0/s1.
What are the key properties of 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea?
1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea has a molecular weight of 323.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea is sourced from PubChem (CID 97340875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).