1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea

C19H23FN4O3 — CID 126778522

IUPAC1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea
SMILESCc1nc(C2(NC(=O)Nc3cc(F)ccc3OCC3CC3)CCCC2)no1
InChIInChI=1S/C19H23FN4O3/c1-12-21-17(24-27-12)19(8-2-3-9-19)23-18(25)22-15-10-14(20)6-7-16(15)26-11-13-4-5-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H2,22,23,25)
InChIKeyXDRDQNIGMRLPKX-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.90
Rot. Bonds6

About 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea

1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea (PubChem CID 126778522) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea
PubChem CID126778522
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea
SMILESCc1nc(C2(NC(=O)Nc3cc(F)ccc3OCC3CC3)CCCC2)no1
InChIInChI=1S/C19H23FN4O3/c1-12-21-17(24-27-12)19(8-2-3-9-19)23-18(25)22-15-10-14(20)6-7-16(15)26-11-13-4-5-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H2,22,23,25)
InChIKeyXDRDQNIGMRLPKX-UHFFFAOYSA-N
XLogP3.90
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea (CID 126778522) is 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea is Cc1nc(C2(NC(=O)Nc3cc(F)ccc3OCC3CC3)CCCC2)no1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea?
The InChIKey is XDRDQNIGMRLPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-12-21-17(24-27-12)19(8-2-3-9-19)23-18(25)22-15-10-14(20)6-7-16(15)26-11-13-4-5-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H2,22,23,25).
What are the key properties of 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea?
1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea has a molecular weight of 374.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea is sourced from PubChem (CID 126778522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).