1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea

C14H17N5O3 — CID 72869943

IUPAC1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
SMILESO=C(NCCN1CCCOC1=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H17N5O3/c20-13(15-4-6-19-5-1-7-22-14(19)21)17-11-2-3-12-10(8-11)9-16-18-12/h2-3,8-9H,1,4-7H2,(H,16,18)(H2,15,17,20)
InChIKeyMFIALXLDCVSBOM-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.53
Rot. Bonds4

About 1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea

1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea (PubChem CID 72869943) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
PubChem CID72869943
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
SMILESO=C(NCCN1CCCOC1=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H17N5O3/c20-13(15-4-6-19-5-1-7-22-14(19)21)17-11-2-3-12-10(8-11)9-16-18-12/h2-3,8-9H,1,4-7H2,(H,16,18)(H2,15,17,20)
InChIKeyMFIALXLDCVSBOM-UHFFFAOYSA-N
XLogP1.53
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110
N-(1H-indazol-6-yl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686639
1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
CID 72916049
2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid
CID 139512327
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 72931434
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
CID 110872096
1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea
CID 118788784
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride
CID 154903001
1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 72904484
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
CID 166286364

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea?
The IUPAC name of 1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea (CID 72869943) is 1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea.
What is the SMILES notation for 1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea?
The canonical SMILES for 1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea is O=C(NCCN1CCCOC1=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea?
The InChIKey is MFIALXLDCVSBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c20-13(15-4-6-19-5-1-7-22-14(19)21)17-11-2-3-12-10(8-11)9-16-18-12/h2-3,8-9H,1,4-7H2,(H,16,18)(H2,15,17,20).
What are the key properties of 1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea?
1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea has a molecular weight of 303.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea is sourced from PubChem (CID 72869943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).