3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

C16H26N4O2 — CID 71893444

IUPAC3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C16H26N4O2/c1-11-15(12(2)22-18-11)10-19(3)16(21)17-13-6-8-20(9-7-13)14-4-5-14/h13-14H,4-10H2,1-3H3,(H,17,21)
InChIKeyKYJHVAHEINHXKD-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.06
Rot. Bonds4

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

3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (PubChem CID 71893444) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
PubChem CID71893444
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C16H26N4O2/c1-11-15(12(2)22-18-11)10-19(3)16(21)17-13-6-8-20(9-7-13)14-4-5-14/h13-14H,4-10H2,1-3H3,(H,17,21)
InChIKeyKYJHVAHEINHXKD-UHFFFAOYSA-N
XLogP2.06
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The IUPAC name of 3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (CID 71893444) is 3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is Cc1noc(C)c1CN(C)C(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of 3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The InChIKey is KYJHVAHEINHXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-15(12(2)22-18-11)10-19(3)16(21)17-13-6-8-20(9-7-13)14-4-5-14/h13-14H,4-10H2,1-3H3,(H,17,21).
What are the key properties of 3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea has a molecular weight of 306.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 71893444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).