1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea

C18H14FN5O3 — CID 118400715

IUPAC1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea
SMILESNC(=O)NC(=O)NCc1nc2ccc(-c3c[nH]c4cc(F)ccc34)cc2o1
InChIInChI=1S/C18H14FN5O3/c19-10-2-3-11-12(7-21-14(11)6-10)9-1-4-13-15(5-9)27-16(23-13)8-22-18(26)24-17(20)25/h1-7,21H,8H2,(H4,20,22,24,25,26)
InChIKeyNVVGQLXZUVOMMI-UHFFFAOYSA-N
MW367.34 g/mol
LogP2.99
Rot. Bonds3

About 1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea

1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea (PubChem CID 118400715) has the molecular formula C18H14FN5O3 and a molecular weight of 367.34 g/mol. Its IUPAC name is 1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea
PubChem CID118400715
Molecular FormulaC18H14FN5O3
Molecular Weight367.34 g/mol
Exact Mass367.11
IUPAC Name1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea
SMILESNC(=O)NC(=O)NCc1nc2ccc(-c3c[nH]c4cc(F)ccc34)cc2o1
InChIInChI=1S/C18H14FN5O3/c19-10-2-3-11-12(7-21-14(11)6-10)9-1-4-13-15(5-9)27-16(23-13)8-22-18(26)24-17(20)25/h1-7,21H,8H2,(H4,20,22,24,25,26)
InChIKeyNVVGQLXZUVOMMI-UHFFFAOYSA-N
XLogP2.99
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine
CID 144923888
tert-butyl 6-[2-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]ethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 118382503
6-(6-fluoro-1H-indol-3-yl)-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,3-benzoxazole
CID 118382606
tert-butyl-[[5-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]carbamic acid
CID 118382731
N-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]-3-methyl-N-propylpentan-1-amine
CID 144924062
2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 118382706
3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide
CID 118382629
2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane
CID 145044312
1-amino-7-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]heptan-2-one
CID 123723251
[2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid
CID 118292951
3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide
CID 126574732
4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
CID 144924015

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea?
The IUPAC name of 1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea (CID 118400715) is 1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea.
What is the SMILES notation for 1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea?
The canonical SMILES for 1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea is NC(=O)NC(=O)NCc1nc2ccc(-c3c[nH]c4cc(F)ccc34)cc2o1.
What is the InChIKey of 1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea?
The InChIKey is NVVGQLXZUVOMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O3/c19-10-2-3-11-12(7-21-14(11)6-10)9-1-4-13-15(5-9)27-16(23-13)8-22-18(26)24-17(20)25/h1-7,21H,8H2,(H4,20,22,24,25,26).
What are the key properties of 1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea?
1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea has a molecular weight of 367.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea is sourced from PubChem (CID 118400715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).