1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea

C13H21N3O3 — CID 71972141

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea
SMILESCc1noc(C)c1NC(=O)N(C)CCOCC1CC1
InChIInChI=1S/C13H21N3O3/c1-9-12(10(2)19-15-9)14-13(17)16(3)6-7-18-8-11-4-5-11/h11H,4-8H2,1-3H3,(H,14,17)
InChIKeyZUTYXAUBCFCWIK-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.18
Rot. Bonds6

About 1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea

1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea (PubChem CID 71972141) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea
PubChem CID71972141
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea
SMILESCc1noc(C)c1NC(=O)N(C)CCOCC1CC1
InChIInChI=1S/C13H21N3O3/c1-9-12(10(2)19-15-9)14-13(17)16(3)6-7-18-8-11-4-5-11/h11H,4-8H2,1-3H3,(H,14,17)
InChIKeyZUTYXAUBCFCWIK-UHFFFAOYSA-N
XLogP2.18
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea (CID 71972141) is 1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea is Cc1noc(C)c1NC(=O)N(C)CCOCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea?
The InChIKey is ZUTYXAUBCFCWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-12(10(2)19-15-9)14-13(17)16(3)6-7-18-8-11-4-5-11/h11H,4-8H2,1-3H3,(H,14,17).
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea?
1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea has a molecular weight of 267.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea is sourced from PubChem (CID 71972141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).