N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide

C21H20N2O4 — CID 99701816

IUPACN-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)on1
InChIInChI=1S/C21H20N2O4/c1-25-19-13-18(27-23-19)21(24)22-20(14-6-3-2-4-7-14)16-9-10-17-15(12-16)8-5-11-26-17/h2-4,6-7,9-10,12-13,20H,5,8,11H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyICGJZFLZSQAZJQ-HXUWFJFHSA-N
MW364.40 g/mol
LogP3.53
Rot. Bonds5

About N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide

N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 99701816) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID99701816
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)on1
InChIInChI=1S/C21H20N2O4/c1-25-19-13-18(27-23-19)21(24)22-20(14-6-3-2-4-7-14)16-9-10-17-15(12-16)8-5-11-26-17/h2-4,6-7,9-10,12-13,20H,5,8,11H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyICGJZFLZSQAZJQ-HXUWFJFHSA-N
XLogP3.53
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propanamide
CID 119320933
4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
CID 120562483
2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide
CID 91648959
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-nitrobenzamide
CID 102556629
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119320930
(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide
CID 95319395
5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide
CID 86897846
6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene
CID 164630860
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide
CID 119779081
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119320936
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483

Frequently Asked Questions

What is the IUPAC name of N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 99701816) is N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)on1.
What is the InChIKey of N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is ICGJZFLZSQAZJQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-19-13-18(27-23-19)21(24)22-20(14-6-3-2-4-7-14)16-9-10-17-15(12-16)8-5-11-26-17/h2-4,6-7,9-10,12-13,20H,5,8,11H2,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 99701816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).