N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide

C16H10F3N3O3 — CID 87890809

IUPACN-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide
SMILESO=CN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2ncoc2c1
InChIInChI=1S/C16H10F3N3O3/c17-16(18,19)10-1-3-11(4-2-10)21-15(24)22(9-23)12-5-6-13-14(7-12)25-8-20-13/h1-9H,(H,21,24)
InChIKeyKSFGZCNXUBBMAF-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.04
Rot. Bonds3

About N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide

N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide (PubChem CID 87890809) has the molecular formula C16H10F3N3O3 and a molecular weight of 349.27 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide
PubChem CID87890809
Molecular FormulaC16H10F3N3O3
Molecular Weight349.27 g/mol
Exact Mass349.07
IUPAC NameN-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide
SMILESO=CN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2ncoc2c1
InChIInChI=1S/C16H10F3N3O3/c17-16(18,19)10-1-3-11(4-2-10)21-15(24)22(9-23)12-5-6-13-14(7-12)25-8-20-13/h1-9H,(H,21,24)
InChIKeyKSFGZCNXUBBMAF-UHFFFAOYSA-N
XLogP4.04
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide
CID 87890391
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide
CID 22245929
1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110771869
N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide
CID 87890859
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178685
3-[1,3-benzoxazol-6-yl(methyl)amino]-3-methylbutanoic acid
CID 117042368
N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide
CID 141055660
1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoroethanone
CID 116836453
2-amino-4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoic acid
CID 115180959

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide (CID 87890809) is N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide is O=CN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2ncoc2c1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide?
The InChIKey is KSFGZCNXUBBMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O3/c17-16(18,19)10-1-3-11(4-2-10)21-15(24)22(9-23)12-5-6-13-14(7-12)25-8-20-13/h1-9H,(H,21,24).
What are the key properties of N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide?
N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide has a molecular weight of 349.27 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide is sourced from PubChem (CID 87890809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).