1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea

C14H18N4O3 — CID 164632803

IUPAC1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCc1nc([C@H](C)NC(=O)N(Cc2ccoc2)C2CC2)no1
InChIInChI=1S/C14H18N4O3/c1-9(13-16-10(2)21-17-13)15-14(19)18(12-3-4-12)7-11-5-6-20-8-11/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,15,19)/t9-/m0/s1
InChIKeyKDRYXKMZWQOPAU-VIFPVBQESA-N
MW290.32 g/mol
LogP2.41
Rot. Bonds5

About 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea

1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 164632803) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
PubChem CID164632803
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCc1nc([C@H](C)NC(=O)N(Cc2ccoc2)C2CC2)no1
InChIInChI=1S/C14H18N4O3/c1-9(13-16-10(2)21-17-13)15-14(19)18(12-3-4-12)7-11-5-6-20-8-11/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,15,19)/t9-/m0/s1
InChIKeyKDRYXKMZWQOPAU-VIFPVBQESA-N
XLogP2.41
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea (CID 164632803) is 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea is Cc1nc([C@H](C)NC(=O)N(Cc2ccoc2)C2CC2)no1.
What is the InChIKey of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is KDRYXKMZWQOPAU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9(13-16-10(2)21-17-13)15-14(19)18(12-3-4-12)7-11-5-6-20-8-11/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,15,19)/t9-/m0/s1.
What are the key properties of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 290.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 164632803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).