1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea

C19H23N5O3 — CID 125164091

IUPAC1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
SMILESCc1c(NC(=O)NC[C@H](CO)Cc2ccco2)cccc1-c1nncn1C
InChIInChI=1S/C19H23N5O3/c1-13-16(18-23-21-12-24(18)2)6-3-7-17(13)22-19(26)20-10-14(11-25)9-15-5-4-8-27-15/h3-8,12,14,25H,9-11H2,1-2H3,(H2,20,22,26)/t14-/m1/s1
InChIKeyXOVVTEAMKNLUDJ-CQSZACIVSA-N
MW369.43 g/mol
LogP2.36
Rot. Bonds7

About 1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea

1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea (PubChem CID 125164091) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
PubChem CID125164091
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
SMILESCc1c(NC(=O)NC[C@H](CO)Cc2ccco2)cccc1-c1nncn1C
InChIInChI=1S/C19H23N5O3/c1-13-16(18-23-21-12-24(18)2)6-3-7-17(13)22-19(26)20-10-14(11-25)9-15-5-4-8-27-15/h3-8,12,14,25H,9-11H2,1-2H3,(H2,20,22,26)/t14-/m1/s1
InChIKeyXOVVTEAMKNLUDJ-CQSZACIVSA-N
XLogP2.36
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 97443682
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[2-(furan-2-ylmethyl)-3-hydroxypropyl]urea
CID 72886953
1-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 97443683
ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate
CID 42944313
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea
CID 125165565
1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 126449744
1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 118785617
1-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-(4-nitrophenyl)urea
CID 42944308
2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131944894
1-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
CID 97453437
N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 154912762
N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
CID 131943131

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The IUPAC name of 1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea (CID 125164091) is 1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea is Cc1c(NC(=O)NC[C@H](CO)Cc2ccco2)cccc1-c1nncn1C.
What is the InChIKey of 1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The InChIKey is XOVVTEAMKNLUDJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-16(18-23-21-12-24(18)2)6-3-7-17(13)22-19(26)20-10-14(11-25)9-15-5-4-8-27-15/h3-8,12,14,25H,9-11H2,1-2H3,(H2,20,22,26)/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea has a molecular weight of 369.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea is sourced from PubChem (CID 125164091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).