5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide

C18H20N4O3 — CID 72933641

IUPAC5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N[C@H]3COC[C@H]3Cc3cc(C)no3)c2c1
InChIInChI=1S/C18H20N4O3/c1-10-3-4-15-14(5-10)17(21-20-15)18(23)19-16-9-24-8-12(16)7-13-6-11(2)22-25-13/h3-6,12,16H,7-9H2,1-2H3,(H,19,23)(H,20,21)/t12-,16+/m1/s1
InChIKeyNUFBBKJLDNQQSM-WBMJQRKESA-N
MW340.38 g/mol
LogP2.16
Rot. Bonds4

About 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide

5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide (PubChem CID 72933641) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide
PubChem CID72933641
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N[C@H]3COC[C@H]3Cc3cc(C)no3)c2c1
InChIInChI=1S/C18H20N4O3/c1-10-3-4-15-14(5-10)17(21-20-15)18(23)19-16-9-24-8-12(16)7-13-6-11(2)22-25-13/h3-6,12,16H,7-9H2,1-2H3,(H,19,23)(H,20,21)/t12-,16+/m1/s1
InChIKeyNUFBBKJLDNQQSM-WBMJQRKESA-N
XLogP2.16
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide (CID 72933641) is 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)N[C@H]3COC[C@H]3Cc3cc(C)no3)c2c1.
What is the InChIKey of 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is NUFBBKJLDNQQSM-WBMJQRKESA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10-3-4-15-14(5-10)17(21-20-15)18(23)19-16-9-24-8-12(16)7-13-6-11(2)22-25-13/h3-6,12,16H,7-9H2,1-2H3,(H,19,23)(H,20,21)/t12-,16+/m1/s1.
What are the key properties of 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide?
5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 72933641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).