3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide

C19H21ClN2O4 — CID 110213401

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide
SMILESO=C(CCc1cc(Cl)no1)NC1CC2(CCOCC2)Oc2ccccc21
InChIInChI=1S/C19H21ClN2O4/c20-17-11-13(26-22-17)5-6-18(23)21-15-12-19(7-9-24-10-8-19)25-16-4-2-1-3-14(15)16/h1-4,11,15H,5-10,12H2,(H,21,23)
InChIKeyDNFDSAOVOLMQHG-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.45
Rot. Bonds4

About 3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide

3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide (PubChem CID 110213401) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide
PubChem CID110213401
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide
SMILESO=C(CCc1cc(Cl)no1)NC1CC2(CCOCC2)Oc2ccccc21
InChIInChI=1S/C19H21ClN2O4/c20-17-11-13(26-22-17)5-6-18(23)21-15-12-19(7-9-24-10-8-19)25-16-4-2-1-3-14(15)16/h1-4,11,15H,5-10,12H2,(H,21,23)
InChIKeyDNFDSAOVOLMQHG-UHFFFAOYSA-N
XLogP3.45
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide
CID 110213406
4-(1,1-dioxo-1,4-thiazinan-4-yl)-4-oxo-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylbutanamide
CID 110213487
3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
CID 133225052
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133162770
2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide
CID 110213408
3-[2-oxo-2-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)ethyl]benzoic acid
CID 166262470
3-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100592838
3-(3-chloro-1,2-oxazol-5-yl)-N-(thiolan-3-yl)propanamide
CID 45203025
N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide (CID 110213401) is 3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide is O=C(CCc1cc(Cl)no1)NC1CC2(CCOCC2)Oc2ccccc21.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide?
The InChIKey is DNFDSAOVOLMQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c20-17-11-13(26-22-17)5-6-18(23)21-15-12-19(7-9-24-10-8-19)25-16-4-2-1-3-14(15)16/h1-4,11,15H,5-10,12H2,(H,21,23).
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide?
3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide has a molecular weight of 376.84 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide is sourced from PubChem (CID 110213401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).