5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine

C16H13ClN2O2 — CID 108774229

IUPAC5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
SMILESClc1ccc2oc(NC3CCOc4ccccc43)nc2c1
InChIInChI=1S/C16H13ClN2O2/c17-10-5-6-15-13(9-10)19-16(21-15)18-12-7-8-20-14-4-2-1-3-11(12)14/h1-6,9,12H,7-8H2,(H,18,19)
InChIKeyZHMWRYUMQOPUDL-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.42
Rot. Bonds2

About 5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine

5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine (PubChem CID 108774229) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
PubChem CID108774229
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
SMILESClc1ccc2oc(NC3CCOc4ccccc43)nc2c1
InChIInChI=1S/C16H13ClN2O2/c17-10-5-6-15-13(9-10)19-16(21-15)18-12-7-8-20-14-4-2-1-3-11(12)14/h1-6,9,12H,7-8H2,(H,18,19)
InChIKeyZHMWRYUMQOPUDL-UHFFFAOYSA-N
XLogP4.42
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 108777132
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774312
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
CID 55027626
3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione
CID 154810801
N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3-benzoxazol-2-amine
CID 94497182
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine
CID 108777137
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
CID 80826648
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
CID 108777152
2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile
CID 83077158
N-[1-(2,5-dichlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43723835
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-2,5-diamine
CID 79881384

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine (CID 108774229) is 5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine is Clc1ccc2oc(NC3CCOc4ccccc43)nc2c1.
What is the InChIKey of 5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine?
The InChIKey is ZHMWRYUMQOPUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-10-5-6-15-13(9-10)19-16(21-15)18-12-7-8-20-14-4-2-1-3-11(12)14/h1-6,9,12H,7-8H2,(H,18,19).
What are the key properties of 5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine?
5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine has a molecular weight of 300.75 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 108774229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).