1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea

C14H16F3N3O3 — CID 75494987

IUPAC1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea
SMILESCC(CCCO)NC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1
InChIInChI=1S/C14H16F3N3O3/c1-8(3-2-6-21)18-13(22)19-9-4-5-11-10(7-9)20-12(23-11)14(15,16)17/h4-5,7-8,21H,2-3,6H2,1H3,(H2,18,19,22)
InChIKeyQTOARJWPOXVMGC-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.13
Rot. Bonds5

About 1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea

1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea (PubChem CID 75494987) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea.

Molecular Properties

Compound Name1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea
PubChem CID75494987
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea
SMILESCC(CCCO)NC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1
InChIInChI=1S/C14H16F3N3O3/c1-8(3-2-6-21)18-13(22)19-9-4-5-11-10(7-9)20-12(23-11)14(15,16)17/h4-5,7-8,21H,2-3,6H2,1H3,(H2,18,19,22)
InChIKeyQTOARJWPOXVMGC-UHFFFAOYSA-N
XLogP3.13
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 71883809
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 97020241
1-[(2S,4R)-4-hydroxy-2-methylpentyl]-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea
CID 97317824
2-hydroxy-2-methyl-3-[[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]carbamoylamino]propanoic acid
CID 122078541
1-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea
CID 99824651
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]butanamide
CID 119303399
7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide
CID 119748980
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(1-hydroxypent-4-yn-2-yl)urea
CID 126820715
4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
CID 120560417
1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119748977
cis-(1R,3S)-2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122065416
1-[2-(benzenesulfonamido)ethyl]-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea
CID 146125475

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea?
The IUPAC name of 1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea (CID 75494987) is 1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea.
What is the SMILES notation for 1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea?
The canonical SMILES for 1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea is CC(CCCO)NC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1.
What is the InChIKey of 1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea?
The InChIKey is QTOARJWPOXVMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-8(3-2-6-21)18-13(22)19-9-4-5-11-10(7-9)20-12(23-11)14(15,16)17/h4-5,7-8,21H,2-3,6H2,1H3,(H2,18,19,22).
What are the key properties of 1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea?
1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea has a molecular weight of 331.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea is sourced from PubChem (CID 75494987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).