1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea

C17H20N4O3 — CID 47033539

IUPAC1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea
SMILESO=C(Nc1cccc(-c2nnco2)c1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C17H20N4O3/c22-17(21(15-4-5-15)9-12-6-7-23-10-12)19-14-3-1-2-13(8-14)16-20-18-11-24-16/h1-3,8,11-12,15H,4-7,9-10H2,(H,19,22)
InChIKeyNZFXLQCNHMJDKQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.77
Rot. Bonds5

About 1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea

1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea (PubChem CID 47033539) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea
PubChem CID47033539
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea
SMILESO=C(Nc1cccc(-c2nnco2)c1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C17H20N4O3/c22-17(21(15-4-5-15)9-12-6-7-23-10-12)19-14-3-1-2-13(8-14)16-20-18-11-24-16/h1-3,8,11-12,15H,4-7,9-10H2,(H,19,22)
InChIKeyNZFXLQCNHMJDKQ-UHFFFAOYSA-N
XLogP2.77
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033580
1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
CID 126775286
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032244
3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 87002332
(2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 95767363
3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 47434717
1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea
CID 167926302
3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 95595264
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 94124059
3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 75414860

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea (CID 47033539) is 1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea is O=C(Nc1cccc(-c2nnco2)c1)N(CC1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea?
The InChIKey is NZFXLQCNHMJDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-17(21(15-4-5-15)9-12-6-7-23-10-12)19-14-3-1-2-13(8-14)16-20-18-11-24-16/h1-3,8,11-12,15H,4-7,9-10H2,(H,19,22).
What are the key properties of 1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea?
1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea has a molecular weight of 328.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 47033539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).