N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide

C19H17FN4O2 — CID 154703818

IUPACN-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2c(Nc3nc4ccccc4o3)cc(F)cc12
InChIInChI=1S/C19H17FN4O2/c1-11(25)21-7-6-12-10-22-18-14(12)8-13(20)9-16(18)24-19-23-15-4-2-3-5-17(15)26-19/h2-5,8-10,22H,6-7H2,1H3,(H,21,25)(H,23,24)
InChIKeyLSUGTNAATCQHFZ-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.87
Rot. Bonds5

About N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide

N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide (PubChem CID 154703818) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide
PubChem CID154703818
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2c(Nc3nc4ccccc4o3)cc(F)cc12
InChIInChI=1S/C19H17FN4O2/c1-11(25)21-7-6-12-10-22-18-14(12)8-13(20)9-16(18)24-19-23-15-4-2-3-5-17(15)26-19/h2-5,8-10,22H,6-7H2,1H3,(H,21,25)(H,23,24)
InChIKeyLSUGTNAATCQHFZ-UHFFFAOYSA-N
XLogP3.87
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide
CID 49409260
N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide
CID 154726878
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8511705
N-[2-[7-[4-(2-chloroacetyl)piperazine-1-carbonyl]-5-fluoro-1H-indol-3-yl]ethyl]acetamide
CID 154706306
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 17426636
[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate
CID 169222521
N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776305
N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
CID 563604
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 26463191
1-[2-(2-aminoanilino)-1,3-benzoxazol-6-yl]propan-2-one
CID 89385713

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide (CID 154703818) is N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c[nH]c2c(Nc3nc4ccccc4o3)cc(F)cc12.
What is the InChIKey of N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is LSUGTNAATCQHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-11(25)21-7-6-12-10-22-18-14(12)8-13(20)9-16(18)24-19-23-15-4-2-3-5-17(15)26-19/h2-5,8-10,22H,6-7H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide?
N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 352.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 154703818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).