1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea

C18H29N5O2 — CID 95324847

IUPAC1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea
SMILESCC(C)[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1nc(C2CC2)no1
InChIInChI=1S/C18H29N5O2/c1-11(2)15(17-21-16(22-25-17)12-3-4-12)20-18(24)19-13-7-9-23(10-8-13)14-5-6-14/h11-15H,3-10H2,1-2H3,(H2,19,20,24)/t15-/m0/s1
InChIKeyBZSXUDHXIINEIN-HNNXBMFYSA-N
MW347.46 g/mol
LogP2.57
Rot. Bonds6

About 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea

1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea (PubChem CID 95324847) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea
PubChem CID95324847
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea
SMILESCC(C)[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1nc(C2CC2)no1
InChIInChI=1S/C18H29N5O2/c1-11(2)15(17-21-16(22-25-17)12-3-4-12)20-18(24)19-13-7-9-23(10-8-13)14-5-6-14/h11-15H,3-10H2,1-2H3,(H2,19,20,24)/t15-/m0/s1
InChIKeyBZSXUDHXIINEIN-HNNXBMFYSA-N
XLogP2.57
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea?
The IUPAC name of 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea (CID 95324847) is 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea is CC(C)[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1nc(C2CC2)no1.
What is the InChIKey of 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea?
The InChIKey is BZSXUDHXIINEIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-11(2)15(17-21-16(22-25-17)12-3-4-12)20-18(24)19-13-7-9-23(10-8-13)14-5-6-14/h11-15H,3-10H2,1-2H3,(H2,19,20,24)/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea?
1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea has a molecular weight of 347.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea is sourced from PubChem (CID 95324847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).