N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

C20H22N4O3 — CID 92628499

IUPACN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCCn1cc(-c2cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)no2)cn1
InChIInChI=1S/C20H22N4O3/c1-4-24-12-13(11-21-24)18-9-15(23-27-18)19(25)22-16-10-20(2,3)26-17-8-6-5-7-14(16)17/h5-9,11-12,16H,4,10H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyKBVKOWXCQGGSCU-MRXNPFEDSA-N
MW366.42 g/mol
LogP3.59
Rot. Bonds4

About N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 92628499) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID92628499
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCCn1cc(-c2cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)no2)cn1
InChIInChI=1S/C20H22N4O3/c1-4-24-12-13(11-21-24)18-9-15(23-27-18)19(25)22-16-10-20(2,3)26-17-8-6-5-7-14(16)17/h5-9,11-12,16H,4,10H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyKBVKOWXCQGGSCU-MRXNPFEDSA-N
XLogP3.59
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (CID 92628499) is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is CCn1cc(-c2cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)no2)cn1.
What is the InChIKey of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is KBVKOWXCQGGSCU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-24-12-13(11-21-24)18-9-15(23-27-18)19(25)22-16-10-20(2,3)26-17-8-6-5-7-14(16)17/h5-9,11-12,16H,4,10H2,1-3H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 92628499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).